Changes in / [327364:8d6d31]
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tests/Tesselations/defs.in
r327364 r8d6d31 54 54 #echo "Current dir is `pwd`, calling $MOLECUILDER $mol.conf -e $exec_prefix -p ../$mol.xyz -N $RADIUS $FILENAME." 55 55 if [ -e $mol.dbond ]; then 56 $MOLECUILDER $mol.conf -e $exec_prefix -p../$mol.xyz -A $mol.dbond --select-molecule-by-id 0 -N $RADIUS --nonconvex-file $FILENAME 2>stderr >stdout || exitcode=$?56 $MOLECUILDER -i ../$mol.xyz -A $mol.dbond --select-molecule-by-id 0 -N $RADIUS --nonconvex-file $FILENAME 2>stderr >stdout || exitcode=$? 57 57 else 58 $MOLECUILDER $mol.conf -e $exec_prefix -p../$mol.xyz --select-molecule-by-id 0 -N $RADIUS --nonconvex-file $FILENAME 2>stderr >stdout || exitcode=$?58 $MOLECUILDER -i ../$mol.xyz --select-molecule-by-id 0 -N $RADIUS --nonconvex-file $FILENAME 2>stderr >stdout || exitcode=$? 59 59 fi 60 60 #echo "Molecuilder done with exitcode $exitcode."
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